SCHEMBL7938408

SCHEMBL7938408

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)NCCN1CCOCC1)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.39
HBB P68871 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7969063 0.94 CYP2D6 (0.42) POLBKDM4EALDH1A1MAPTKMT2A
SCHEMBL7937735 0.86 KMT2A (0.41) CYP2C9CYP2C19POLBALDH1A1KMT2A
SCHEMBL7951892 0.86 POLB (0.39) POLBALDH1A1MAPK1HPGD
SCHEMBL7993224 0.85 MEN1 (0.42) CYP2C9CYP2C19POLBLMNAKDM4E
SCHEMBL7944071 0.84 HTT (0.40) POLBALDH1A1HPGDMMP2
SCHEMBL7948016 0.83 POLB (0.38) CYP2C19POLBKDM4EALDH1A1MAPT
SCHEMBL7945520 0.83 NPC1 (0.39) CYP2C19POLBKDM4EALDH1A1MAPT
SCHEMBL7982206 0.82 POLB (0.36) POLBALDH1A1KMT2AHPGDMMP2
SCHEMBL7947094 0.82 POLB (0.37) CYP2C19POLBKDM4EALDH1A1MAPT
SCHEMBL7946743 0.82 MITF (0.45) CYP2C9CYP2C19POLBLMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed